2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide

C20H19NO4S — CID 26213313

IUPAC2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1
InChIInChI=1S/C20H19NO4S/c1-26(23,24)17-7-5-16(6-8-17)21-20(22)11-15-12-25-19-10-14-4-2-3-13(14)9-18(15)19/h5-10,12H,2-4,11H2,1H3,(H,21,22)
InChIKeyJWMARFBVNIUTLF-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.51
Rot. Bonds4

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 26213313) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide
PubChem CID26213313
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1
InChIInChI=1S/C20H19NO4S/c1-26(23,24)17-7-5-16(6-8-17)21-20(22)11-15-12-25-19-10-14-4-2-3-13(14)9-18(15)19/h5-10,12H,2-4,11H2,1H3,(H,21,22)
InChIKeyJWMARFBVNIUTLF-UHFFFAOYSA-N
XLogP3.51
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide
CID 55802388
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 22830887
N-(1,3-benzodioxol-5-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 2641720
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 26711149
N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide
CID 55675441
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 46524962
N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 4847739
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021987
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 2463764
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 26269633
N-tert-butyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 9451645
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 2641753

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide (CID 26213313) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is JWMARFBVNIUTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-26(23,24)17-7-5-16(6-8-17)21-20(22)11-15-12-25-19-10-14-4-2-3-13(14)9-18(15)19/h5-10,12H,2-4,11H2,1H3,(H,21,22).
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide?
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 369.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 26213313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).